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ASINEX-ZINC04076322

 MMsINC code: MMs00302107
Type: Neutral
Formula: C10H19NO3S
SMILES:   S(CC(N)C(OCC)=O)C1OCCCC1
InChI:   InChI=1/C10H19NO3S/c1-2-13-10(12)8(11)7-15-9-5-3-4-6-14-9/h8-9H,2-7,11H2,1H3/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=37.3182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.332 g/mol  logS: -1.78668  SlogP: 1.1366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762897  Sterimol/B1: 2.2877  Sterimol/B2: 3.15522  Sterimol/B3: 4.45092
  Sterimol/B4: 6.46154  Sterimol/L: 14.8873 
 
 Surface and Volume Properties
  Accessible surface: 483.036  Positive charged surface: 364.061  Negative charged surface: 118.975  Volume: 226.75
  Hydrophobic surface: 343.586  Hydrophilic surface: 139.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.